EcoDrugPlus


Keyword(s):	Surfactants
Molecule Category	Free-form
EPA CompTox	DTXSID00196452

Keyword(s):

Surfactants

Molecule Category

Free-form

EPA CompTox

DTXSID00196452


InChI Key	COUMKTRLCGRAAA-UHFFFAOYSA-N
Smiles	[Na+].CCCCCCCCCCCCCCCO[S]([O-])(=O)=O
InChI	InChI=1S/C15H32O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-20(16,17)18/h2-15H2,1H3,(H,16,17,18)

InChI Key

COUMKTRLCGRAAA-UHFFFAOYSA-N

Smiles

[Na+].CCCCCCCCCCCCCCCO[S]([O-])(=O)=O

InChI

InChI=1S/C15H32O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-20(16,17)18/h2-15H2,1H3,(H,16,17,18)

Property Name	Value
Molecular Formula	C15H32O4S1
Molecular Weight	308.2
AlogP	4.9
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	15.0
Polar Surface Area	63.6
Heavy Atoms	20.0

Property Name

Value

Molecular Formula

C15H32O4S1

Molecular Weight

308.2

AlogP

4.9

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

15.0

Polar Surface Area

63.6

Heavy Atoms

20.0

Resources	Reference
CAS NUMBER	45247-34-5
NORMAN SUSDAT
PubChem	61596
ChemSpider	55504.0

Resources

Reference

CAS NUMBER

45247-34-5

NORMAN SUSDAT

PubChem

61596

ChemSpider

55504.0

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025

PENTADECYL SULFURIC ACID

Structure

Physicochemical Descriptors

Cross References